7-(aminomethyl)-6,6-dimethyl-4,5-dihydro-1H-indazol-7-ol

C10H17N3O — CID 112715390

IUPAC7-(aminomethyl)-6,6-dimethyl-4,5-dihydro-1H-indazol-7-ol
SMILESCC1(C)CCc2cn[nH]c2C1(O)CN
InChIInChI=1S/C10H17N3O/c1-9(2)4-3-7-5-12-13-8(7)10(9,14)6-11/h5,14H,3-4,6,11H2,1-2H3,(H,12,13)
InChIKeyQTEDQTCMHHYHIP-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.53
Rot. Bonds1

About 7-(aminomethyl)-6,6-dimethyl-4,5-dihydro-1H-indazol-7-ol

7-(aminomethyl)-6,6-dimethyl-4,5-dihydro-1H-indazol-7-ol (PubChem CID 112715390) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 7-(aminomethyl)-6,6-dimethyl-4,5-dihydro-1H-indazol-7-ol.

Molecular Properties

Compound Name7-(aminomethyl)-6,6-dimethyl-4,5-dihydro-1H-indazol-7-ol
PubChem CID112715390
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name7-(aminomethyl)-6,6-dimethyl-4,5-dihydro-1H-indazol-7-ol
SMILESCC1(C)CCc2cn[nH]c2C1(O)CN
InChIInChI=1S/C10H17N3O/c1-9(2)4-3-7-5-12-13-8(7)10(9,14)6-11/h5,14H,3-4,6,11H2,1-2H3,(H,12,13)
InChIKeyQTEDQTCMHHYHIP-UHFFFAOYSA-N
XLogP0.53
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-6,6-dimethyl-4,5-dihydro-1H-indazol-7-ol?
The IUPAC name of 7-(aminomethyl)-6,6-dimethyl-4,5-dihydro-1H-indazol-7-ol (CID 112715390) is 7-(aminomethyl)-6,6-dimethyl-4,5-dihydro-1H-indazol-7-ol.
What is the SMILES notation for 7-(aminomethyl)-6,6-dimethyl-4,5-dihydro-1H-indazol-7-ol?
The canonical SMILES for 7-(aminomethyl)-6,6-dimethyl-4,5-dihydro-1H-indazol-7-ol is CC1(C)CCc2cn[nH]c2C1(O)CN.
What is the InChIKey of 7-(aminomethyl)-6,6-dimethyl-4,5-dihydro-1H-indazol-7-ol?
The InChIKey is QTEDQTCMHHYHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-9(2)4-3-7-5-12-13-8(7)10(9,14)6-11/h5,14H,3-4,6,11H2,1-2H3,(H,12,13).
What are the key properties of 7-(aminomethyl)-6,6-dimethyl-4,5-dihydro-1H-indazol-7-ol?
7-(aminomethyl)-6,6-dimethyl-4,5-dihydro-1H-indazol-7-ol has a molecular weight of 195.27 g/mol, XLogP of 0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-6,6-dimethyl-4,5-dihydro-1H-indazol-7-ol is sourced from PubChem (CID 112715390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).